2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C13H23N5 — CID 25130573

IUPAC2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(N)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C13H23N5/c1-13(2,3)12-15-10(14)9-11(16-12)18-7-5-17(4)6-8-18/h9H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyHXHXJWQTDRSZKC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.11
Rot. Bonds1

About 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 25130573) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID25130573
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(N)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C13H23N5/c1-13(2,3)12-15-10(14)9-11(16-12)18-7-5-17(4)6-8-18/h9H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyHXHXJWQTDRSZKC-UHFFFAOYSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 25130573) is 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CN1CCN(c2cc(N)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is HXHXJWQTDRSZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2,3)12-15-10(14)9-11(16-12)18-7-5-17(4)6-8-18/h9H,5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 25130573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).